1-methyl-4-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole

C13H14N4S — CID 154819420

IUPAC1-methyl-4-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole
SMILESCn1cc(CCn2ccnc2-c2ccsc2)cn1
InChIInChI=1S/C13H14N4S/c1-16-9-11(8-15-16)2-5-17-6-4-14-13(17)12-3-7-18-10-12/h3-4,6-10H,2,5H2,1H3
InChIKeyPCRDEGFATMTFCN-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.59
Rot. Bonds4

About 1-methyl-4-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole

1-methyl-4-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole (PubChem CID 154819420) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-methyl-4-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole.

Molecular Properties

Compound Name1-methyl-4-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole
PubChem CID154819420
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name1-methyl-4-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole
SMILESCn1cc(CCn2ccnc2-c2ccsc2)cn1
InChIInChI=1S/C13H14N4S/c1-16-9-11(8-15-16)2-5-17-6-4-14-13(17)12-3-7-18-10-12/h3-4,6-10H,2,5H2,1H3
InChIKeyPCRDEGFATMTFCN-UHFFFAOYSA-N
XLogP2.59
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole
CID 146040358
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CID 154922508
7-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]pyrazolo[1,5-a]pyridine
CID 154566522
1-methyl-4-[2-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]ethyl]pyrazole
CID 146044354
1-methyl-4-[(2-phenylimidazol-1-yl)methyl]pyrazole
CID 155917955
1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole-2-carbaldehyde
CID 103005379
1-propyl-2-[(2-thiophen-3-ylimidazol-1-yl)methyl]imidazole
CID 70775838
formic acid;2-[[3-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]phenoxy]methyl]pyridine
CID 155940294
1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole-2-carbothioamide
CID 103015046
2-(2,3-dimethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole;formic acid
CID 154924176
1-methyl-4-[(2-methylimidazol-1-yl)methyl]pyrazole
CID 62403698
2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]sulfanylacetic acid
CID 80688800

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole?
The IUPAC name of 1-methyl-4-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole (CID 154819420) is 1-methyl-4-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole.
What is the SMILES notation for 1-methyl-4-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole?
The canonical SMILES for 1-methyl-4-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole is Cn1cc(CCn2ccnc2-c2ccsc2)cn1.
What is the InChIKey of 1-methyl-4-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole?
The InChIKey is PCRDEGFATMTFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-16-9-11(8-15-16)2-5-17-6-4-14-13(17)12-3-7-18-10-12/h3-4,6-10H,2,5H2,1H3.
What are the key properties of 1-methyl-4-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole?
1-methyl-4-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole has a molecular weight of 258.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole is sourced from PubChem (CID 154819420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).